Chemical Properties of ethyl anthranilate (CAS 87-25-2)

InChI

InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3

InChI Key

TWLLPUMZVVGILS-UHFFFAOYSA-N

Formula

C9H11NO2

SMILES

CCOC(=O)c1ccccc1N

Molecular Weight¹

165.19

CAS

87-25-2

Other Names

• anthranilic acid, ethyl ester
• benzoic acid, 2-amino-, ethyl ester
• ethyl 2-aminobenzoate
• ethyl o-aminobenzoate
• o-aminobenzoic acid, ethyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-39.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-215.04	kJ/mol	Joback Calculated Property
ΔfusH°	20.70	kJ/mol	Joback Calculated Property
ΔvapH°	58.36	kJ/mol	Joback Calculated Property
log10WS	-1.77		Crippen Calculated Property
logPoct/wat	1.446		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3615.89	kPa	Joback Calculated Property
Inp	[1387.00; 1452.00]
Inp	1387.00		NIST
Inp	1452.00		NIST
Inp	1419.00		NIST
Inp	1413.00		NIST
Inp	1413.00		NIST
Inp	1396.00		NIST
Inp	1396.00		NIST
Inp	1452.00		NIST
Inp	1396.00		NIST
I	[2232.00; 2232.00]
I	2232.00		NIST
I	2232.00		NIST
I	2232.00		NIST
Tboil	[540.00; 541.20]	K
Tboil	541.20	K	NIST
Tboil	540.00 ± 1.00	K	NIST
Tc	812.12	K	Joback Calculated Property
Tfus	[286.00; 287.50]	K
Tfus	286.00	K	NIST
Tfus	287.50 ± 0.02	K	NIST
Vc	0.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.15; 372.45]	J/mol×K	[585.80; 812.12]
Cp,gas	310.15	J/mol×K	585.80	Joback Calculated Property
Cp,gas	322.35	J/mol×K	623.52	Joback Calculated Property
Cp,gas	333.81	J/mol×K	661.24	Joback Calculated Property
Cp,gas	344.53	J/mol×K	698.96	Joback Calculated Property
Cp,gas	354.54	J/mol×K	736.68	Joback Calculated Property
Cp,gas	363.84	J/mol×K	774.40	Joback Calculated Property
Cp,gas	372.45	J/mol×K	812.12	Joback Calculated Property
ΔvapH	[59.60; 70.95]	kJ/mol	[298.15; 513.00]
ΔvapH	70.95	kJ/mol	298.15	Thermal...
ΔvapH	59.60	kJ/mol	513.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[402.70; 419.20]	K	[1.00; 2.00]
Tboilr	402.70	K	1.00	NIST
Tboilr	419.20	K	2.00	NIST
Tboilr	419.00 ± 1.00	K	2.00	NIST

Similar Compounds

Find more compounds similar to ethyl anthranilate.

Sources

• Crippen Method
• Crippen Method
• Thermal and structural properties of ethyl 2- and 3-aminobenzoates: Experimental and computational approaches
• Joback Method
• McGowan Method
• NIST Webbook

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